Geometry & MOs

Info

ID:	29747
PubChem CID:	836869
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-88.66
Dipole, Da:	2.62
IP(EA), eV:	-9.12(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(cyclopentanecarbonyloxy)benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC(=O)C2CCCC2)C

DOS

IR

Vibrations